High performance collision cross section calculation-HPCCS

Isomeric separation of cannabinoids by UPLC combined with ionic mobility mass spectrometry (TWIM-MS)—Part I

(2017) Lilian V. Tose et al.   INTERNATIONAL JOURNAL OF MASS SPECTROMETRY

Review on Ion Mobility Spectrometry. Part 1: current instrumentation

(2015) R. Cumeras et al.   ANALYST

Ion Mobility-Mass Spectrometry: Time-Dispersive Instrumentation

(2015) Jody C. May et al.   ANALYTICAL CHEMISTRY

Are Benzoic Acids Always More Acidic Than Phenols? The Case ofortho-,meta-, andpara-Hydroxybenzoic Acids

(2015) Renan S. Galaverna et al.   EUROPEAN JOURNAL OF ORGANIC CHEMISTRY

New ways to boost molecular dynamics simulations

(2015) Elmar Krieger et al.   JOURNAL OF COMPUTATIONAL CHEMISTRY

Separation of glycosidic catiomers by TWIM-MS using CO2as a drift gas

(2015) Giovana A. Bataglion et al.   JOURNAL OF MASS SPECTROMETRY

Linking molecular models with ion mobility experiments. Illustration with a rigid nucleic acid structure

(2015) Valentina D'Atri et al.   JOURNAL OF MASS SPECTROMETRY

Collision Cross Sections for Structural Proteomics

(2015) Erik G. Marklund et al.   STRUCTURE

W1CEP theory for computational thermochemistry

(2015) Gabriel Heerdt et al.   Computational and Theoretical Chemistry

The power of ion mobility-mass spectrometry for structural characterization and the study of conformational dynamics

(2014) Francesco Lanucara et al.   Nature Chemistry

Factors Contributing to the Collision Cross Section of Polyatomic Ions in the Kilodalton to Gigadalton Range: Application to Ion Mobility Measurements

(2013) Thomas Wyttenbach et al.   ANALYTICAL CHEMISTRY

A novel projection approximation algorithm for the fast and accurate computation of molecular collision cross sections (IV). Application to polypeptides

(2013) Christian Bleiholder et al.   INTERNATIONAL JOURNAL OF MASS SPECTROMETRY

Can ion mobility mass spectrometry and density functional theory help elucidate protonation sites in 'small' molecules?

(2013) Cris Lapthorn et al.   RAPID COMMUNICATIONS IN MASS SPECTROMETRY

A novel projection approximation algorithm for the fast and accurate computation of molecular collision cross sections (II). Model parameterization and definition of empirical shape factors for proteins

(2012) Christian Bleiholder et al.   INTERNATIONAL JOURNAL OF MASS SPECTROMETRY

Theoretical study of thermochemical properties using composite methods adapted to ONIOM

(2012) Gabriel Heerdt et al.   JOURNAL OF THE BRAZILIAN CHEMICAL SOCIETY

Structural Characterization of Drug-like Compounds by Ion Mobility Mass Spectrometry: Comparison of Theoretical and Experimentally Derived Nitrogen Collision Cross Sections

(2011) Iain Campuzano et al.   ANALYTICAL CHEMISTRY

A novel projection approximation algorithm for the fast and accurate computation of molecular collision cross sections (I). Method

(2011) Christian Bleiholder et al.   INTERNATIONAL JOURNAL OF MASS SPECTROMETRY

Validação computacional de métodos compostos no estudo de propriedades moleculares

(2011) Gabriel Heerdt et al.   QUIMICA NOVA

How useful is ion mobility mass spectrometry for structural biology? The relationship between protein crystal structures and their collision cross sections in the gas phase

(2010) Ewa Jurneczko et al.   ANALYST

Ion Mobility Spectrometry and Its Applications in Detection of Chemical Warfare Agents

(2010) Marko A. Mäkinen et al.   ANALYTICAL CHEMISTRY

Collision Cross Sections of Proteins and Their Complexes: A Calibration Framework and Database for Gas-Phase Structural Biology

(2010) Matthew F. Bush et al.   ANALYTICAL CHEMISTRY

Reliability of ion mobility spectrometry for qualitative analysis of complex, multicomponent illicit drug samples

(2010) Jennifer R. Verkouteren et al.   FORENSIC SCIENCE INTERNATIONAL

Improved analysis of explosives samples with electrospray ionization-high resolution ion mobility spectrometry (ESI-HRIMS)

(2010) Christopher K. Hilton et al.   INTERNATIONAL JOURNAL OF MASS SPECTROMETRY

Residual counter ions can stabilise a large protein complex in the gas phase

(2009) Joanna Freeke et al.   INTERNATIONAL JOURNAL OF MASS SPECTROMETRY

Ion mobility-mass spectrometry

(2008) Abu B. Kanu et al.   JOURNAL OF MASS SPECTROMETRY

Optimum Waveforms for Differential Ion Mobility Spectrometry (FAIMS)

(2008) A SHVARTSBURG et al.   JOURNAL OF THE AMERICAN SOCIETY FOR MASS SPECTROMETRY

Ion mobility–mass spectrometry analysis of large protein complexes

(2008) Brandon T Ruotolo et al.   Nature Protocols